SCHEMBL5320033

SCHEMBL5320033

COc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
HSPB1 P04792 3/20 0.69
TTR P02766 3/20 0.67
MAPT P10636 8/20 0.63
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 4/20 0.63
HTT P42858 3/20 0.63
POLB P06746 2/20 0.63
ALDH1A1 P00352 6/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 3/20 0.56
MCL1 Q07820 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GFER P55789 1/20 0.55
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27710883 0.92 HSPB1 (0.79) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL10363811 0.91 TTR (0.67) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL20328418 0.85 TDP1 (0.66) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL29351649 0.85 TDP1 (0.66) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL20328412 0.85 TDP1 (0.66) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL397931 0.85 TDP1 (0.66) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL1042708 0.85 HSPB1 (0.73) HSPB1TTRMAPTMEN1KMT2A
SCHEMBL29390372 0.85 HSPB1 (0.73) HSPB1TTRMAPTMEN1KMT2A
SCHEMBL8973686 0.85 HSPB1 (0.69) L3MBTL1HSPB1TTRMAPTMEN1
SCHEMBL1341337 0.85 L3MBTL1 (0.71) L3MBTL1HSPB1TTRMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071344-A2 NOVEL COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-28 WO disclosed